| Properties | Image |
|---|
| MNX_ID | MNXM1180496 |
 |
| reference | envipathM:...42049c85cf60 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | FKBVFERMFKTCDI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-52(59)64-43(41-62-51(58)38-31-26-24-28-34-45(56)53(60)44(55)33-27-21-11-8-5-2)42-63-54(61)46(57)35-29-23-25-30-37-48-50(66-48)40-49-47(65-49)36-9-6-3/h15-16,21,27,43-50,53,55-57,60H,4-14,17-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-52(59)64-43(41-62-51(58)38-31-26-24-28-34-45(56)53(60)44(55)33-27-21-11-8-5-2)42-63-54(61)46(57)35-29-23-25-30-37-48-50(66-48)40-49-47(65-49)36-9-6-3/h15-16,21,27,43-50,53,55-57,60H,4-14,17-20,22-26,28-42H2,1-3H3/b16-15?,27-21?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:32][CH2:39][C:52](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:26][CH2:24][CH2:28][CH2:34][CH:45]([CH:53]([CH:44]([CH2:33][CH:27]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:60])[OH:56])=[O:58])[CH2:42][O:63][C:54]([CH:46]([CH2:35][CH2:29][CH2:23][CH2:25][CH2:30][CH2:37][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:57])=[O:61] |
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